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21.
Density functional theory calculations on the reactivity of a Ni(II)-superoxo complex in C-H bond activation, aromatic hydroxylation and heteroatom oxidation reactions have been explored; the Ni(II)-superoxo complex is able to react with substrates with weak C-H bonds and PPh(3).  相似文献   
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JPC – Journal of Planar Chromatography – Modern TLC - A novel liquid-phase microextraction method coupled with high-performance thin-layer chromatography (HPTLC) for preconcentration,...  相似文献   
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In the present study, paclitaxel (PTX), multi-walled carbon nanotubes (MWCNTs), and doxorubicin (DOX) have been simultaneously doped into the poly(ϵ-caprolactone) (PCL)/chitosan/zein core-shell nanofibers to increase its cytotoxicity for MCF-7 breast cancers killing. The physico-chemical properties of synthesized nanofibers were determined by scanning electron microscope, Fourier-transform infrared spectroscopy, tensile strength, and degradation rate determinations. The in vitro release studies demonstrated the sustained release of drugs from core-shell nanofibrous scaffold. The cytotoxicity and compatibility of core-shell nanofibers were investigated by their treating with MCF-7 breast cancer cells and L929 normal cells, respectively. PCL/PTX/chitosan/zein/MWCNTs/DOX core-shell nanofibers containing 1 wt% MWCNTs, 100 μg ml−1 DOX and 100 μg ml−1 PTX had a high biocompatibility with a 84% MCF-7 cancer cells killing. The in vivo studies revealed the synergic effects of MWCNTs and anticancer drugs on the tumor inhibition. This method could be considered as a new way for developing of MWCNTs loaded-nanofibers for cancer treatment in future.  相似文献   
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By a new method of modeling, the DLVO energy interaction between rough nanoparticles and rough surfaces is investigated at various conditions. Rippled sphere model and surface element integration method are used. For calculation of energy interaction, the spherical coordinates are used and by increasing the radius ratio of two particles, the pseudo flat surfaces are generated. With increasing the radius ratio of two particles to 50, the large particle behaves as flat surface in front of small particle. Roughness, size of particles, temperature, zeta potential, capacity, and concentration of ions, which influence the stability of nanocolloidal solutions, are considered by the new method. Spherical coordinates enable to model the rough nanoparticles and rough surfaces so that no simplifying assumptions are needed, which was very difficult and time-consuming in Cartesian coordinate system. New method could predict the effect of different parameters on the stability of nanocolloidal systems precisely, easily, and at short times in comparison to Cartesian coordinate.  相似文献   
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We propose a bundle trust-region algorithm to minimize locally Lipschitz functions which are potentially nonsmooth and nonconvex. We prove global convergence of our method and show by way of an example that the classical convergence argument in trust-region methods based on the Cauchy point fails in the nonsmooth setting. Our method is tested experimentally on three problems in automatic control.  相似文献   
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This article investigates the stabilization and control problems for a general active fault‐tolerant control system (AFTCS) in a stochastic framework. The novelty of the research lies in utilizing uncertain nonhomogeneous Markovian structures to take account for the imperfect fault detection and diagnosis (FDD) algorithms of the AFTCS. The underlying AFTCS is supposed to be modeled by two random processes of Markov type; one characterizing the system fault process and the other describing the FDD process. It is assumed that the FDD algorithm is imperfect and provides inaccurate Markovian parameters for the FDD process. Specifically, it provides uncertain transition rates (TRs); the TRs that lie in an interval without any particular structures. This framework is more consistent with real‐world applications to accommodate different types of faults. It is more general than the previously developed AFTCSs because of eliminating the need for an accurate estimation of the fault process. To solve the stabilizability and the controller design problems of this AFTCS, the whole system is viewed as an uncertain nonhomogeneous Markovian jump linear system (NHMJLS) with time‐varying and uncertain specifications. Based on the multiple and stochastic Lyapunov function for the NHMJLS, first a sufficient condition is obtained to analyze the system stabilizability and then, the controller gains are synthesized. Unlike the previous fault‐tolerant controllers, the proposed robust controller only needs to access the FDD process, besides it is easily obtainable through the existing optimization techniques. It is successfully tested on a practical inverted pendulum controlled by a fault‐prone DC motor. © 2016 Wiley Periodicals, Inc. Complexity 21: 318–329, 2016  相似文献   
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How deep is your orbital? Density functional theory studies on the axial ligand effect of aliphatic versus aromatic hydroxylation of ethylbenzene by iron–oxo complexes with a variable axial ligand show that strong (anionic) ligands pull the metal inside the plane of the haeme and destabilise cationic intermediates through orbital interactions (see picture).

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30.
Polymer scaffolds tailored for tissue engineering applications possessing the desired pore structure require reproducible fabrication techniques. Nondestructive, quantitative methods for pore characterization are required to determine the pore size and its distribution. In this study, a promising alternative to traditional pore size characterization techniques is presented. We introduce a quantitative, nondestructive and inexpensive method to determine the pore size distribution of large soft porous solids based on the on the displacement of a liquid, that spreads without limits though a porous medium, by nitrogen. The capillary pressure is measured and related to the pore sizes as well as the pore size distribution of the narrowest bottlenecks of the largest interconnected pores in a porous medium. The measured pore diameters correspond to the narrowest bottleneck of the largest pores connecting the bottom with the top surface of a given porous solid. The applicability and reproducibility of the breakthrough technique is demonstrated on two polyurethane foams, manufactured using the thermally induced phase separation (TIPS) process, with almost identical overall porosity (60-70%) but very different pore morphology. By selecting different quenching temperatures to induce polymer phase separation, the pore structure could be regulated while maintaining the overall porosity. Depending on the quenching temperature, the foams exhibited either longitudinally oriented tubular macropores interconnected with micropores or independent macropores connected to adjacent pores via openings in the pore walls. The pore size and its distribution obtained by the breakthrough test were in excellent agreement to conventional characterization techniques, such as scanning electron microscopy combined with image analysis, BET technique, and mercury intrusion porosimetry. This technique is suitable for the characterization of the micro- and macropore structure of soft porous solids intended for tissue engineering applications. The method is sensitive for the smallest bottlenecks of the largest continuous pores throughout the scaffold that contributes to fluid flow.  相似文献   
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